| CAS Number | 32471-55-9 |
| Catalog Number | AG007G0T(AGN-PC-0NHOWO) |
| Chemical Name | 1-(1,1-Difluoroethyl)-4-nitrobenzene |
| IUPAC Name | 1-(1,1-difluoroethyl)-4-nitrobenzene |
| InChI | InChI=1S/C8H7F2NO2/c1-8(9,10)6-2-4-7(5-3-6)11(12)13/h2-5H,1H3 |
| InChI Key | GTHBDVVJLJWNPL-UHFFFAOYSA-N |
| MDL Number | MFCD00034014 |
| Molecular Formula | C8H7F2NO2 |
| Molecular Weight | 187.1435 |
| SMILES | O=[N+](C1=CC=C(C(F)(F)C)C=C1)[O-] |
| Synonyms | 1-(1,1-difluoroethyl)-4-nitrobenzene,
32471-55-9,
SCHEMBL2320664,
CTK8D3965,
DTXSID00476963,
ZINC4760467,
BBL101430,
STL555226,
AKOS005258086,
1-(1,1-difluoro-ethyl)-4-nitro-benzene,
TC-010354,
CS-0068827,
FT-0686161,
Y-9937,
Z2235810189,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.146g/mol |
| Monoisotopic Mass | 187.044g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number